3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one

C18H16N2O4 — CID 2868335

IUPAC3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccccn2)cc1
InChIInChI=1S/C18H16N2O4/c1-11(21)15-16(12-6-8-13(24-2)9-7-12)20(18(23)17(15)22)14-5-3-4-10-19-14/h3-10,16,22H,1-2H3
InChIKeyQZOYDHKNUZPFRK-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.58
Rot. Bonds4

About 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one

3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 2868335) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID2868335
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccccn2)cc1
InChIInChI=1S/C18H16N2O4/c1-11(21)15-16(12-6-8-13(24-2)9-7-12)20(18(23)17(15)22)14-5-3-4-10-19-14/h3-10,16,22H,1-2H3
InChIKeyQZOYDHKNUZPFRK-UHFFFAOYSA-N
XLogP2.58
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one (CID 2868335) is 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one is COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccccn2)cc1.
What is the InChIKey of 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is QZOYDHKNUZPFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11(21)15-16(12-6-8-13(24-2)9-7-12)20(18(23)17(15)22)14-5-3-4-10-19-14/h3-10,16,22H,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one?
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 324.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 2868335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).